
  SciTegic01161211233D

 39 43  0  0  0  0            999 V2000
   18.4372   -0.9277    0.0000 N   0  0
   19.1537   -0.5144    0.0000 C   0  0
   19.1508    0.3162    0.0000 C   0  0
   18.4354    0.7253    0.0000 C   0  0
   17.7224   -0.5148    0.0000 C   0  0
   17.7247    0.3107    0.0000 C   0  0
   17.0120    0.7237    0.0000 C   0  0
   16.2966    0.3123    0.0000 C   0  0
   16.2983   -0.5165    0.0000 C   0  0
   17.0115   -0.9257    0.0000 C   0  0
   19.8615    0.7326    0.0000 C   0  0
   20.5744    1.1477    0.0000 N   0  0
   18.4319    1.5503    0.0000 N   0  0
   19.1446    1.9659    0.0000 C   0  0
   19.8603    1.5550    0.0000 C   0  0
   20.5725    1.9698    0.0000 C   0  0
   20.5694    2.7957    0.0000 C   0  0
   19.8482    3.2049    0.0000 C   0  0
   19.1389    2.7877    0.0000 C   0  0
   21.2816    3.2122    0.0000 S   0  0
   21.9983    2.8037    0.0000 C   0  0
   22.0848    1.9861    0.0000 N   0  0
   22.8927    1.8191    0.0000 C   0  0
   23.3012    2.5359    0.0000 C   0  0
   22.7457    3.1458    0.0000 N   0  0
   22.9107    3.9541    0.0000 C   0  0
   19.8417    4.0367    0.0000 Cl  0  0
   15.5848   -0.9307    0.0000 C   0  0
   14.8693   -0.5199    0.0000 C   0  0
   14.1558   -0.9340    0.0000 C   0  0
   13.4404   -0.5232    0.0000 C   0  0
   12.7269   -0.9374    0.0000 N   0  0
   12.0165   -0.5249    0.0000 C   0  0
   11.3052   -0.9356    0.0000 C   0  0
   11.3029   -1.7609    0.0000 N   0  0
   12.0182   -2.1739    0.0000 C   0  0
   12.7358   -1.7616    0.0000 C   0  0
   10.5878   -2.1724    0.0000 C   0  0
    9.8739   -1.7589    0.0000 C   0  0
 18 19  2  0
 19 14  1  0
  4  6  1  0
 17 20  1  0
  9 10  1  0
 20 21  1  0
 21 22  2  0
 10  5  2  0
  1  2  2  0
  5  1  1  0
 11 12  3  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 21  1  0
  3 11  1  0
 25 26  1  0
  5  6  1  0
 18 27  1  0
  4 13  1  0
  9 28  1  0
  2  3  1  0
 28 29  2  0
 13 14  1  0
 29 30  1  0
  6  7  2  0
 30 31  1  0
 14 15  2  0
 31 32  1  0
 32 33  1  0
 15 16  1  0
  7  8  1  0
 16 17  2  0
  3  4  2  0
 32 37  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 17 18  1  0
 35 38  1  0
  8  9  2  0
 38 39  1  0
M  END

><pIC50 value against TTDS00247>
7.25963731050576

><pIC50 value against TTDC00164>
7.92081875395237

$$$$

          11280715492D 1   1.00000     0.00000     0

 35 39  0     0  0            999 V2000
   -5.8135   -8.2366    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.8135   -9.0624    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.1009   -9.4710    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3882   -9.0624    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3882   -8.2366    0.0000 N   0  0  3  0  0  0           0  0  0
   -5.1009   -7.8195    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6719   -7.8258    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.9581   -8.2408    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2417   -7.8299    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.5278   -8.2449    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5316   -9.0718    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.8185   -9.4866    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8151   -7.8346    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1014   -8.2458    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1027   -9.0730    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6120   -9.4858    0.0000 N   0  0  0  0  0  0           0  0  0
    1.3283   -9.0727    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3256   -8.2423    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6103   -7.8331    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6079   -7.0074    0.0000 N   0  0  0  0  0  0           0  0  0
    1.3219   -6.5924    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0336   -7.8260    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7473   -7.4106    0.0000 N   0  0  0  0  0  0           0  0  0
    2.0350   -7.0045    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7485   -6.5902    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7465   -5.7637    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0252   -5.3530    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3147   -5.7696    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4599   -5.3478    0.0000 S   0  0  0  0  0  0           0  0  0
    4.1768   -5.7577    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1753   -6.5820    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8913   -6.9918    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6056   -6.5758    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5995   -5.7459    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8829   -5.3398    0.0000 C   0  0  0  0  0  0           0  0  0
 16 17  2  0     0  0
  1  6  1  0     0  0
 17 18  1  0     0  0
  8  9  1  0     0  0
 18 19  2  0     0  0
 19 14  1  0     0  0
  2  3  1  0     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
 20 21  1  0     0  0
  3  4  1  0     0  0
 10 11  2  0     0  0
 22 23  3  0     0  0
 18 22  1  0     0  0
  4  5  1  0     0  0
 21 24  2  0     0  0
 11 12  1  0     0  0
 24 25  1  0     0  0
 12 15  2  0     0  0
 25 26  2  0     0  0
  5  6  1  0     0  0
 26 27  1  0     0  0
 14 13  2  0     0  0
 27 28  2  0     0  0
 28 21  1  0     0  0
 13 10  1  0     0  0
 26 29  1  0     0  0
 29 30  1  0     0  0
  5  7  1  0     0  0
 30 31  2  0     0  0
 14 15  1  0     0  0
 31 32  1  0     0  0
  1  2  1  0     0  0
 32 33  2  0     0  0
 15 16  1  0     0  0
 33 34  1  0     0  0
  7  8  1  0     0  0
 34 35  2  0     0  0
 35 30  1  0     0  0
M  END

><pIC50 value against TTDS00247>
5.52287874528034

><pIC50 value against TTDC00164>
6.01772876696043

$$$$

  SciTegic07061118172D

 30 34  0  0  0  0            999 V2000
   13.9086  -22.0369    0.0000 N   0  0
   13.9074  -22.8637    0.0000 C   0  0
   14.6217  -23.2763    0.0000 C   0  0
   14.6199  -21.6245    0.0000 C   0  0
   15.3346  -22.0333    0.0000 C   0  0
   15.3349  -22.8637    0.0000 N   0  0
   16.1248  -23.1201    0.0000 C   0  0
   16.6127  -22.4481    0.0000 N   0  0
   16.1243  -21.7765    0.0000 C   0  0
   16.3818  -23.9080    0.0000 C   0  0  2  0  0  0
   14.6174  -20.8002    0.0000 N   0  0
   16.3827  -20.9930    0.0000 C   0  0
   17.1640  -20.7417    0.0000 N   0  0
   15.8964  -20.3238    0.0000 C   0  0
   16.3840  -19.6584    0.0000 C   0  0
   17.1668  -19.9167    0.0000 C   0  0
   17.7798  -19.3685    0.0000 C   0  0
   17.6114  -18.5618    0.0000 C   0  0
   16.8244  -18.3062    0.0000 C   0  0
   16.2147  -18.8562    0.0000 C   0  0
   15.8248  -24.5204    0.0000 C   0  0
   16.0788  -25.3054    0.0000 C   0  0
   16.8890  -25.4809    0.0000 C   0  0  2  0  0  0
   17.4449  -24.8650    0.0000 C   0  0
   17.1905  -24.0735    0.0000 C   0  0
   17.1417  -26.2656    0.0000 C   0  0
   16.5886  -26.8768    0.0000 N   0  0
   16.8413  -27.6614    0.0000 C   0  0
   16.2882  -28.2727    0.0000 C   0  0
   17.6472  -27.8349    0.0000 O   0  0
 15 14  1  0
 14 12  2  0
  1  2  1  0
  5  4  1  0
 15 16  2  0
  6  7  1  0
 16 17  1  0
  7  8  2  0
 17 18  2  0
  8  9  1  0
 18 19  1  0
  9  5  2  0
 19 20  2  0
 20 15  1  0
 10 21  1  0
  4  1  2  0
 10  7  1  1
  5  6  1  0
  4 11  1  0
 10 25  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
  9 12  1  0
 23 26  1  6
 12 13  1  0
 26 27  1  0
  2  3  2  0
 27 28  1  0
  3  6  1  0
 28 29  1  0
 13 16  1  0
 28 30  2  0
M  END

><pIC50 value against TTDS00247>
5.27572413039921

><pIC50 value against TTDC00164>
6.01772876696043

$$$$

          11280714572D 1   1.00000     0.00000     0

 36 38  0     0  0            999 V2000
    8.2125   -4.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2125   -3.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3042   -5.2125    0.0000 N   0  0  0  0  0  0           0  0  0
    5.5042   -5.2125    0.0000 N   0  0  0  0  0  0           0  0  0
    6.4042   -4.6792    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1125   -5.2125    0.0000 N   0  0  0  0  0  0           0  0  0
    9.1167   -3.1292    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1125   -6.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4042   -3.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3042   -3.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6042   -4.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6042   -3.6417    0.0000 N   0  0  0  0  0  0           0  0  0
   10.0125   -6.7792    0.0000 N   0  0  0  0  0  0           0  0  0
    5.5042   -3.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1167   -2.0917    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0167   -3.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2042   -6.7750    0.0000 O   0  0  0  0  0  0           0  0  0
   10.0042   -7.8167    0.0000 C   0  0  3  0  0  0           0  0  0
    3.7000   -5.2125    0.0000 N   0  0  0  0  0  0           0  0  0
   10.0125   -4.6917    0.0000 Cl  0  0  0  0  0  0           0  0  0
    8.2125   -1.5667    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.8083   -4.6875    0.0000 N   0  0  3  0  0  0           0  0  0
   10.9250   -2.0917    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9167   -3.1375    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0167   -1.5667    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9125   -8.3417    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1042   -8.3375    0.0000 C   0  0  0  0  0  0           0  0  0
   10.7500   -7.0875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8000   -4.6917    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8083   -3.6417    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7125   -5.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0917   -5.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9917   -4.6875    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8917   -5.2125    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6125   -4.6875    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7083   -3.1250    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  4  5  2  0     0  0
  5  3  1  0     0  0
  6  1  1  0     0  0
  7  2  1  0     0  0
  8  6  1  0     0  0
  9  5  1  0     0  0
 10  2  2  0     0  0
 11  4  1  0     0  0
 12 14  1  0     0  0
 13  8  1  0     0  0
 14  9  2  0     0  0
 15  7  1  0     0  0
 16  7  2  0     0  0
 17  8  2  0     0  0
 18 13  1  0     0  0
 19 11  1  0     0  0
 20 16  1  0     0  0
 21 15  1  0     0  0
 22 32  1  0     0  0
 23 24  2  0     0  0
 24 16  1  0     0  0
 25 15  2  0     0  0
 26 18  1  0     0  0
 27 18  1  0     0  0
 28 18  1  0     0  0
 29 19  1  0     0  0
 30 22  1  0     0  0
 31 22  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 29  1  0     0  0
 35 31  1  0     0  0
 36 30  1  0     0  0
  9 10  1  0     0  0
 23 25  1  0     0  0
 11 12  2  0     0  0
M  END

><pIC50 value against TTDS00247>
7.35654732351381

><pIC50 value against TTDC00164>
5.55284196865778

$$$$

          11280715492D 1   1.00000     0.00000     0

 35 39  0     0  0            999 V2000
    6.8770   -0.0208    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8770   -0.8466    0.0000 O   0  0  0  0  0  0           0  0  0
    7.5897   -1.2553    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3023   -0.8466    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3023   -0.0208    0.0000 N   0  0  3  0  0  0           0  0  0
    7.5897    0.3962    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0186    0.3899    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7325   -0.0250    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4489    0.3857    0.0000 N   0  0  0  0  0  0           0  0  0
   11.1627   -0.0292    0.0000 C   0  0  0  0  0  0           0  0  0
   11.1590   -0.8560    0.0000 N   0  0  0  0  0  0           0  0  0
   11.8720   -1.2708    0.0000 C   0  0  0  0  0  0           0  0  0
   11.8754    0.3811    0.0000 C   0  0  0  0  0  0           0  0  0
   12.5891   -0.0300    0.0000 C   0  0  0  0  0  0           0  0  0
   12.5879   -0.8573    0.0000 C   0  0  0  0  0  0           0  0  0
   13.3025   -1.2701    0.0000 N   0  0  0  0  0  0           0  0  0
   14.0189   -0.8570    0.0000 C   0  0  0  0  0  0           0  0  0
   14.0161   -0.0265    0.0000 C   0  0  0  0  0  0           0  0  0
   13.3009    0.3825    0.0000 C   0  0  0  0  0  0           0  0  0
   13.2985    1.2083    0.0000 N   0  0  0  0  0  0           0  0  0
   14.0125    1.6233    0.0000 C   0  0  0  0  0  0           0  0  0
   14.7242    0.3896    0.0000 C   0  0  0  0  0  0           0  0  0
   15.4377    0.8051    0.0000 N   0  0  0  0  0  0           0  0  0
   14.7256    1.2112    0.0000 C   0  0  0  0  0  0           0  0  0
   15.4389    1.6255    0.0000 C   0  0  0  0  0  0           0  0  0
   15.4370    2.4521    0.0000 C   0  0  0  0  0  0           0  0  0
   14.7157    2.8627    0.0000 C   0  0  0  0  0  0           0  0  0
   14.0053    2.4461    0.0000 C   0  0  0  0  0  0           0  0  0
   16.1504    2.8680    0.0000 C   0  0  0  0  0  0           0  0  0
   16.8672    2.4581    0.0000 C   0  0  0  0  0  0           0  0  0
   16.8658    1.6337    0.0000 C   0  0  0  0  0  0           0  0  0
   17.5819    1.2239    0.0000 C   0  0  0  0  0  0           0  0  0
   18.2962    1.6399    0.0000 C   0  0  0  0  0  0           0  0  0
   18.2900    2.4698    0.0000 C   0  0  0  0  0  0           0  0  0
   17.5735    2.8759    0.0000 C   0  0  0  0  0  0           0  0  0
 16 17  2  0     0  0
  1  6  1  0     0  0
 17 18  1  0     0  0
  8  9  1  0     0  0
 18 19  2  0     0  0
 19 14  1  0     0  0
  2  3  1  0     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
 20 21  1  0     0  0
  3  4  1  0     0  0
 10 11  2  0     0  0
 22 23  3  0     0  0
 18 22  1  0     0  0
  4  5  1  0     0  0
 21 24  2  0     0  0
 11 12  1  0     0  0
 24 25  1  0     0  0
 12 15  2  0     0  0
 25 26  2  0     0  0
  5  6  1  0     0  0
 26 27  1  0     0  0
 14 13  2  0     0  0
 27 28  2  0     0  0
 28 21  1  0     0  0
 13 10  1  0     0  0
 26 29  1  0     0  0
 29 30  1  0     0  0
  5  7  1  0     0  0
 30 31  2  0     0  0
 14 15  1  0     0  0
 31 32  1  0     0  0
  1  2  1  0     0  0
 32 33  2  0     0  0
 15 16  1  0     0  0
 33 34  1  0     0  0
  7  8  1  0     0  0
 34 35  2  0     0  0
 35 30  1  0     0  0
M  END

><pIC50 value against TTDS00247>
5.39794000867204

><pIC50 value against TTDC00164>
6.20065945054642

$$$$

          11280715002D 1   1.00000     0.00000     0

 37 40  0     0  0            999 V2000
    2.8042  -11.3417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8000  -10.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0917  -11.7625    0.0000 N   0  0  0  0  0  0           0  0  0
    0.6542  -11.7667    0.0000 N   0  0  0  0  0  0           0  0  0
    1.3750  -11.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5167  -11.7542    0.0000 N   0  0  0  0  0  0           0  0  0
    3.5042  -10.1000    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.1917  -14.1667    0.0000 C   0  0  0  0  0  0           0  0  0
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  9  5  1  0     0  0
 10  2  2  0     0  0
 11  4  1  0     0  0
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 13  8  1  0     0  0
 14 28  1  0     0  0
 15 22  1  0     0  0
 16  9  2  0     0  0
 17  7  1  0     0  0
 18  7  2  0     0  0
 19  8  2  0     0  0
 20 13  1  0     0  0
 21 11  1  0     0  0
 22 25  1  0     0  0
 23 24  1  0     0  0
 24 14  1  0     0  0
 25 14  1  0     0  0
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 27 17  1  0     0  0
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 34 21  1  0     0  0
 35 20  1  0     0  0
 36 20  1  0     0  0
 37 20  1  0     0  0
 10  9  1  0     0  0
 31 33  1  0     0  0
 12 11  2  0     0  0
 15 23  1  0     0  0
M  END

><pIC50 value against TTDS00247>
7.50863830616573

><pIC50 value against TTDC00164>
5.15490195998574

$$$$

  Mrv0541 04051115152D          

 33 36  0  0  0  0            999 V2000
   -0.0454   -1.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8704   -1.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3553   -2.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711    4.4952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -5.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32  4  1  0  0  0  0
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 25  5  1  0  0  0  0
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 23  7  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END

><pIC50 value against TTDS00247>
9.39794000867204

><pIC50 value against TTDC00164>
5.76955107862173

$$$$

          11280715002D 1   1.00000     0.00000     0

 35 42  0     1  0            999 V2000
    2.0292   -6.3792    0.0000 C   0  0  1  0  0  0           0  0  0
    1.7625   -5.6042    0.0000 N   0  0  3  0  0  0           0  0  0
    3.5917   -5.4042    0.0000 N   0  0  3  0  0  0           0  0  0
    2.1917   -4.9125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0167   -4.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8042   -6.6500    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5000   -6.2125    0.0000 C   0  0  3  0  0  0           0  0  0
    3.3500   -4.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7042   -4.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8500   -3.3917    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.9167   -5.3375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3417   -4.9500    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.9167   -4.5042    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.2292   -6.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0000   -8.5292    0.0000 N   0  0  0  0  0  0           0  0  0
    1.3417   -7.6625    0.0000 O   0  0  0  0  0  0           0  0  0
    0.2000   -5.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1250   -5.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2000   -4.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7792   -3.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2042   -9.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6000   -7.2917    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5125   -5.3375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7375   -4.6500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5542   -3.8417    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5125   -4.5042    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  7  1  0     0  0
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  7  6  1  0     0  0
  8  5  2  0     0  0
  9  4  2  0     0  0
 10 11  2  0     0  0
 11  9  1  0     0  0
 12  2  1  0     0  0
 13  3  1  0     0  0
 14  1  1  0     0  0
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  1 23  1  6     0  0
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 31 25  1  0     0  0
 32 26  2  0     0  0
 33 27  2  0     0  0
 34 33  1  0     0  0
 35 32  1  0     0  0
  7 17  1  0     0  0
  9 16  1  0     0  0
  5  3  1  0     0  0
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 28 35  2  0     0  0
  8 10  1  0     0  0
 18 19  1  0     0  0
 34 29  2  0     0  0
M  END

><pIC50 value against TTDS00247>
9.08092190762393

><pIC50 value against TTDC00164>
9

$$$$

          11280715162D 1   1.00000     0.00000     0

 36 40  0     0  0            999 V2000
    7.1417   -2.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1500   -1.9500    0.0000 N   0  0  0  0  0  0           0  0  0
    6.4292   -3.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8542   -1.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8542   -3.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4292   -4.0042    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.5792   -0.3167    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.5750   -2.7750    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.7250   -2.7667    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.2917   -5.2375    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5875   -4.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1500   -0.2917    0.0000 Cl  0  0  0  0  0  0           0  0  0
   10.0167   -0.3292    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.8625   -5.2292    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0042   -1.9625    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8667   -4.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5792   -5.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7042   -5.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4292   -4.3792    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7250   -3.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0000   -5.2000    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0042   -2.7875    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  1  2  0     0  0
  6  3  1  0     0  0
  7 19  2  0     0  0
  8  4  2  0     0  0
  9 10  2  0     0  0
 10  4  1  0     0  0
 11  5  1  0     0  0
 12 11  3  0     0  0
 13  9  1  0     0  0
 14  8  1  0     0  0
 15 21  2  0     0  0
 16  3  2  0     0  0
 17  6  2  0     0  0
 18 23  1  0     0  0
 19  5  1  0     0  0
 20 15  1  0     0  0
 21 16  1  0     0  0
 22 34  1  0     0  0
 23 28  1  0     0  0
 24 20  1  0     0  0
 25 20  2  0     0  0
 26 10  1  0     0  0
 27 13  1  0     0  0
 28 30  2  0     0  0
 29 14  1  0     0  0
 30 25  1  0     0  0
 31 24  2  0     0  0
 32 18  1  0     0  0
 33 18  1  0     0  0
 34 33  1  0     0  0
 35 32  1  0     0  0
 36 29  1  0     0  0
  7  6  1  0     0  0
 17 15  1  0     0  0
 13 14  2  0     0  0
 31 28  1  0     0  0
 22 35  1  0     0  0
M  END

><pIC50 value against TTDS00247>
8.48148606012211

><pIC50 value against TTDC00164>
6.55284196865778

$$$$

          11290713132D 1   1.00000     0.00000     0

 34 38  0     0  0            999 V2000
    7.6027   -8.3958    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6016   -9.2232    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3164   -9.6360    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3146   -7.9830    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0300   -8.3922    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0307   -9.2232    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7497   -9.6362    0.0000 N   0  0  0  0  0  0           0  0  0
   10.4683   -9.2194    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4635   -8.3852    0.0000 N   0  0  0  0  0  0           0  0  0
    9.7440   -7.9759    0.0000 N   0  0  0  0  0  0           0  0  0
   11.1844   -9.6291    0.0000 N   0  0  0  0  0  0           0  0  0
    6.8882   -7.9835    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.1777   -6.7411    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4623   -7.1538    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4652   -7.9831    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1795   -8.3916    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6067   -6.7423    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1807   -9.2166    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3165  -10.4610    0.0000 C   0  0  0  0  0  0           0  0  0
   11.8972   -9.2138    0.0000 C   0  0  0  0  0  0           0  0  0
   12.6110   -9.6270    0.0000 C   0  0  0  0  0  0           0  0  0
   13.3234   -9.2125    0.0000 C   0  0  0  0  0  0           0  0  0
   13.3206   -8.3866    0.0000 C   0  0  0  0  0  0           0  0  0
   12.5995   -7.9770    0.0000 C   0  0  0  0  0  0           0  0  0
   11.8901   -8.3940    0.0000 C   0  0  0  0  0  0           0  0  0
   14.0329   -7.9704    0.0000 O   0  0  0  0  0  0           0  0  0
   14.7495   -8.3791    0.0000 C   0  0  0  0  0  0           0  0  0
   15.4619   -7.9629    0.0000 C   0  0  0  0  0  0           0  0  0
   16.1785   -8.3717    0.0000 N   0  0  3  0  0  0           0  0  0
   16.2695   -9.1878    0.0000 C   0  0  0  0  0  0           0  0  0
   17.0773   -9.3551    0.0000 C   0  0  0  0  0  0           0  0  0
   17.4861   -8.6384    0.0000 C   0  0  0  0  0  0           0  0  0
   16.9308   -8.0283    0.0000 C   0  0  0  0  0  0           0  0  0
  7  8  2  0     0  0
 16 17  2  0     0  0
 17 12  1  0     0  0
  5  4  2  0     0  0
 13 18  1  0     0  0
  8  9  1  0     0  0
 17 19  1  0     0  0
  4  1  1  0     0  0
  3 20  1  0     0  0
  9 10  2  0     0  0
 11 21  1  0     0  0
 10  5  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
  8 11  1  0     0  0
 23 24  2  0     0  0
  2  3  1  0     0  0
 24 25  1  0     0  0
  1 12  1  0     0  0
 25 26  2  0     0  0
 26 21  1  0     0  0
  5  6  1  0     0  0
 24 27  1  0     0  0
 12 13  2  0     0  0
 27 28  1  0     0  0
  3  6  2  0     0  0
 28 29  1  0     0  0
 13 14  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
  6  7  1  0     0  0
 14 15  2  0     0  0
  1  2  2  0     0  0
 15 16  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 30  1  0     0  0
M  END

><pIC50 value against TTDS00247>
8.19382002601611

><pIC50 value against TTDC00164>
7.16115090926274

$$$$

  SciTegic06011109532D

 40 43  0  0  0  0            999 V2000
  -10.1943   -3.0608    0.0000 C   0  0
  -10.1923   -3.8890    0.0000 C   0  0
   -9.4756   -4.3025    0.0000 C   0  0
   -8.7653   -3.8887    0.0000 C   0  0
   -8.7640   -3.0574    0.0000 C   0  0
   -9.4812   -2.6479    0.0000 C   0  0
  -10.9098   -4.3015    0.0000 O   0  0
  -11.6227   -3.8887    0.0000 C   0  0
   -8.0507   -2.6449    0.0000 C   0  0
   -7.3395   -3.0566    0.0000 N   0  0
   -7.3402   -3.8813    0.0000 N   0  0
   -6.5565   -4.1390    0.0000 C   0  0
   -6.0683   -3.4715    0.0000 C   0  0
   -6.5506   -2.8034    0.0000 C   0  0
   -6.2986   -2.0193    0.0000 N   0  0
   -5.2401   -3.4726    0.0000 N   0  0
   -4.8266   -2.7587    0.0000 C   0  0
   -4.0016   -2.7598    0.0000 C   0  0
   -5.2381   -2.0436    0.0000 O   0  0
   -3.5931   -3.4799    0.0000 C   0  0
   -2.7688   -3.4814    0.0000 C   0  0
   -2.3545   -2.7669    0.0000 C   0  0
   -2.7705   -2.0495    0.0000 C   0  0
   -3.5933   -2.0516    0.0000 C   0  0
   -4.0070   -1.3377    0.0000 C   0  0
   -2.3577   -4.1966    0.0000 N   0  0
   -1.5327   -4.1981    0.0000 C   0  0
   -1.1214   -4.9130    0.0000 N   0  0
   -1.1188   -3.4844    0.0000 O   0  0
   -0.2964   -4.9142    0.0000 C   0  0
    0.1128   -5.6299    0.0000 C   0  0
    0.9370   -5.6315    0.0000 C   0  0
    1.3514   -4.9171    0.0000 C   0  0
    0.9356   -4.1996    0.0000 C   0  0
    0.1127   -4.2015    0.0000 C   0  0
    2.1764   -4.9172    0.0000 Cl  0  0
    1.3466   -3.4843    0.0000 C   0  0
    2.1716   -3.4827    0.0000 F   0  0
    0.9327   -2.7707    0.0000 F   0  0
    1.7542   -2.7667    0.0000 F   0  0
  5  6  2  0
 18 20  2  0
  6  1  1  0
 20 21  1  0
  2  7  1  0
 21 22  2  0
  7  8  1  0
 22 23  1  0
  5  9  1  0
 23 24  2  0
 24 18  1  0
  9 10  1  0
 24 25  1  0
 13 14  2  0
 21 26  1  0
 11 12  2  0
 26 27  1  0
 10 11  1  0
 27 28  1  0
 12 13  1  0
 27 29  2  0
 14 10  1  0
 28 30  1  0
 30 31  2  0
 14 15  1  0
 31 32  1  0
  1  2  2  0
 32 33  2  0
 13 16  1  0
 33 34  1  0
  2  3  1  0
 34 35  2  0
 35 30  1  0
 16 17  1  0
 33 36  1  0
  3  4  2  0
 34 37  1  0
 17 18  1  0
 37 38  1  0
  4  5  1  0
 37 39  1  0
 17 19  2  0
 37 40  1  0
M  END

><pIC50 value against TTDS00247>
8.31966448658544

><pIC50 value against TTDC00164>
7.74016730093652

$$$$

  SciTegic07151116502D

 41 42  0  0  0  0            999 V2000
    3.2041    1.4370    0.0000 C   0  0
    4.0280    1.4358    0.0000 C   0  0
    4.4390    2.1475    0.0000 N   0  0
    4.0275    2.8609    0.0000 C   0  0
    3.2005    2.8580    0.0000 C   0  0
    2.7932    2.1457    0.0000 C   0  0
   -0.5026   -0.7104    0.0000 C   0  0
    0.3212   -0.7115    0.0000 N   0  0
    0.7323    0.0002    0.0000 C   0  0
    0.3207    0.7135    0.0000 N   0  0
   -0.5062    0.7107    0.0000 C   0  0
   -0.9136   -0.0016    0.0000 C   0  0
    1.5573    0.0041    0.0000 N   0  0
    1.9667    0.7210    0.0000 C   0  0
    2.7914    0.7212    0.0000 C   0  0
   -0.9153   -1.4254    0.0000 C   0  0
   -1.7410   -1.4219    0.0000 C   0  0
   -2.2225   -0.7554    0.0000 N   0  0
   -2.2261   -2.0905    0.0000 S   0  0
   -3.0121   -1.8342    0.0000 C   0  0
   -3.0087   -1.0074    0.0000 C   0  0
   -3.7219   -0.5928    0.0000 C   0  0
   -4.4390   -1.0039    0.0000 C   0  0
   -4.4384   -1.8339    0.0000 C   0  0
   -3.7246   -2.2448    0.0000 C   0  0
   -0.5039   -2.1412    0.0000 C   0  0
   -0.0930   -2.8609    0.0000 N   0  0
   -4.5789   -5.7495    0.0000 F   0  0
   -3.8645   -5.3370    0.0000 C   0  0
   -3.1500   -5.7495    0.0000 C   0  0
   -2.4355   -5.3370    0.0000 O   0  0
   -3.1500   -6.5745    0.0000 O   0  0
   -3.8645   -4.5120    0.0000 F   0  0
   -4.5789   -4.9245    0.0000 F   0  0
   -1.0907   -5.8376    0.0000 F   0  0
   -0.3763   -5.4251    0.0000 C   0  0
    0.3382   -5.8376    0.0000 C   0  0
    1.0527   -5.4251    0.0000 O   0  0
    0.3382   -6.6626    0.0000 O   0  0
   -0.3763   -4.6001    0.0000 F   0  0
   -1.0907   -5.0126    0.0000 F   0  0
  1  2  2  0
 13 14  1  0
  3  4  2  0
 14 15  1  0
 15  1  1  0
  7  8  2  0
  7 16  1  0
 16 17  2  0
 16 26  1  0
 18 21  1  0
  8  9  1  0
  4  5  1  0
 17 18  1  0
 20 19  1  0
 19 17  1  0
  9 10  2  0
  2  3  1  0
 20 21  2  0
 10 11  1  0
 21 22  1  0
  5  6  2  0
 22 23  2  0
 11 12  2  0
 23 24  1  0
 12  7  1  0
 24 25  2  0
 25 20  1  0
  6  1  1  0
  9 13  1  0
 26 27  3  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 29 33  1  0
 29 34  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 36 40  1  0
 36 41  1  0
M  END

><pIC50 value against TTDS00247>
5.95860731484178

><pIC50 value against TTDC00164>
5

$$$$

          11280715482D 1   1.00000     0.00000     0

 36 40  0     0  0            999 V2000
    9.3792   -0.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6000   -0.5250    0.0000 S   0  0  0  0  0  0           0  0  0
    8.1167   -1.1875    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0917   -0.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6000   -1.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3792   -1.6042    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0917    0.4583    0.0000 N   0  0  0  0  0  0           0  0  0
   10.8042    0.8708    0.0000 C   0  0  0  0  0  0           0  0  0
   10.8125   -0.7792    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0917   -2.0167    0.0000 N   0  0  0  0  0  0           0  0  0
   11.5167    0.4583    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5667   -0.7375    0.0000 N   0  0  0  0  0  0           0  0  0
   11.5167    2.1125    0.0000 C   0  0  0  0  0  0           0  0  0
   10.8042    1.7000    0.0000 C   0  0  0  0  0  0           0  0  0
   11.5292   -0.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2792   -1.1417    0.0000 C   0  0  0  0  0  0           0  0  0
   12.2542    0.0625    0.0000 N   0  0  0  0  0  0           0  0  0
   12.2375    1.7000    0.0000 C   0  0  0  0  0  0           0  0  0
   12.2375    0.8708    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1417   -3.1917    0.0000 N   0  0  3  0  0  0           0  0  0
    5.1417   -4.8417    0.0000 N   0  0  3  0  0  0           0  0  0
   10.8125   -1.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8500   -1.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1292   -2.3750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8500   -1.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2792   -1.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8542   -3.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4292   -3.6125    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8542   -4.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4292   -4.4292    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0792    2.1250    0.0000 Cl  0  0  0  0  0  0           0  0  0
   12.9542    2.1208    0.0000 Cl  0  0  0  0  0  0           0  0  0
    6.5625   -2.3792    0.0000 C   0  0  0  0  0  0           0  0  0
   12.9542    0.4500    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1417   -5.6667    0.0000 C   0  0  0  0  0  0           0  0  0
   13.6792    0.8625    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  7  4  1  0     0  0
  8  7  1  0     0  0
  9  4  2  0     0  0
 10  6  1  0     0  0
 11  8  2  0     0  0
 12 16  2  0     0  0
 13 14  2  0     0  0
 14  8  1  0     0  0
 15  9  1  0     0  0
 16  3  1  0     0  0
 17 15  3  0     0  0
 18 13  1  0     0  0
 19 11  1  0     0  0
 20 24  1  0     0  0
 21 30  1  0     0  0
 22 10  2  0     0  0
 23 33  1  0     0  0
 24 23  1  0     0  0
 25 12  1  0     0  0
 26 16  1  0     0  0
 27 20  1  0     0  0
 28 20  1  0     0  0
 29 27  1  0     0  0
 30 28  1  0     0  0
 31 14  1  0     0  0
 32 18  1  0     0  0
 33 26  2  0     0  0
 34 19  1  0     0  0
 35 21  1  0     0  0
 36 34  1  0     0  0
  5  3  2  0     0  0
  9 22  1  0     0  0
 18 19  2  0     0  0
 23 25  2  0     0  0
 29 21  1  0     0  0
M  END

><pIC50 value against TTDS00247>
7.88605664769316

><pIC50 value against TTDC00164>
5.79588001734407

$$$$

  SciTegic12111210002D

 32 34  0  0  0  0            999 V2000
    0.1958    4.8792    0.0000 C   0  0
    0.1958    5.7042    0.0000 C   0  0
   -1.2333    2.4083    0.0000 C   0  0
   -0.5208   -3.7792    0.0000 C   0  0
   -0.5208   -2.9542    0.0000 C   0  0
   -1.2333    3.2333    0.0000 N   0  0
   -1.2333   -2.5417    0.0000 C   0  0
    0.9083    4.4667    0.0000 C   0  0
   -1.9500    1.9958    0.0000 N   0  0
   -0.5208    4.4667    0.0000 C   0  0
    0.1958   -2.5417    0.0000 N   0  0
   -1.2333   -1.7167    0.0000 C   0  0
   -0.5208    3.6458    0.0000 C   0  0
   -0.5208    1.9958    0.0000 O   0  0
    0.1958   -4.1917    0.0000 O   0  0
   -1.9500   -1.3042    0.0000 O   0  0
    1.0208    5.7042    0.0000 F   0  0
    0.1958    6.5292    0.0000 F   0  0
   -0.6292    5.7042    0.0000 F   0  0
    0.9083    3.6458    0.0000 C   0  0
   -1.2333   -4.1917    0.0000 N   0  0
   -1.9500    1.1708    0.0000 C   0  0
   -1.9500   -0.4792    0.0000 C   0  0
    0.1958   -1.7167    0.0000 C   0  0
    0.1958    3.2333    0.0000 C   0  0
    1.6250    4.8792    0.0000 Cl  0  0
   -0.5208   -1.3042    0.0000 C   0  0
   -1.2333    0.7583    0.0000 C   0  0
   -2.6625    0.7583    0.0000 C   0  0
   -1.2333   -0.0667    0.0000 C   0  0
   -2.6625   -0.0667    0.0000 C   0  0
   -1.2333   -5.0167    0.0000 C   0  0
  2  1  1  0
  3  6  1  0
  4  5  1  0
  5  7  2  0
  6 13  1  0
  7 12  1  0
  8  1  1  0
  9  3  1  0
 10  1  2  0
 11 24  2  0
 12 16  1  0
 13 10  1  0
 14  3  2  0
 15  4  2  0
 16 23  1  0
 17  2  1  0
 18  2  1  0
 19  2  1  0
 20  8  2  0
 21  4  1  0
 22  9  1  0
 23 30  1  0
 24 27  1  0
 25 13  2  0
 26  8  1  0
 27 12  2  0
 28 22  1  0
 29 22  2  0
 30 28  2  0
 31 29  1  0
 32 21  1  0
 25 20  1  0
 23 31  2  0
  5 11  1  0
M  END

><pIC50 value against TTDS00247>
6.4089353929735

><pIC50 value against TTDC00164>
5.48148606012211

$$$$

  SciTegic02211115552D

 20 23  0  0  0  0            999 V2000
   11.4048   -2.3045    0.0000 C   0  0
   11.4036   -3.1305    0.0000 C   0  0
   12.1173   -3.5427    0.0000 C   0  0
   12.1155   -1.8924    0.0000 N   0  0
   12.8297   -2.3009    0.0000 C   0  0
   12.8300   -3.1305    0.0000 C   0  0
   13.6191   -3.3867    0.0000 N   0  0
   14.1067   -2.7153    0.0000 N   0  0
   13.6187   -2.0443    0.0000 C   0  0
   13.8743   -1.2648    0.0000 C   0  0
   14.6575   -1.0099    0.0000 N   0  0
   13.3900   -0.5986    0.0000 C   0  0
   13.8738    0.0680    0.0000 C   0  0
   14.6601   -0.1879    0.0000 C   0  0
   15.2727    0.3647    0.0000 C   0  0
   15.1002    1.1730    0.0000 C   0  0
   14.3096    1.4192    0.0000 C   0  0
   13.6931    0.8743    0.0000 C   0  0
   15.7087    1.7281    0.0000 O   0  0
   16.4937    1.4787    0.0000 C   0  0
 10 11  1  0
  4  1  1  0
  5  6  1  0
 11 14  1  0
 13 12  1  0
 12 10  2  0
  9 10  1  0
  2  3  1  0
  3  6  2  0
 13 14  2  0
  1  2  2  0
 14 15  1  0
  5  4  2  0
 15 16  2  0
  6  7  1  0
 16 17  1  0
  7  8  1  0
 17 18  2  0
 18 13  1  0
  8  9  2  0
 16 19  1  0
  9  5  1  0
 19 20  1  0
M  END

><pIC50 value against TTDS00247>
5.88272870434424

><pIC50 value against TTDC00164>
5.61083391563547

$$$$
